N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide

C19H27N3O2 — CID 119710473

IUPACN-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
SMILESCC(CC(=O)Nc1cccc(NC(=O)C2CC2)c1)C1CCCNC1
InChIInChI=1S/C19H27N3O2/c1-13(15-4-3-9-20-12-15)10-18(23)21-16-5-2-6-17(11-16)22-19(24)14-7-8-14/h2,5-6,11,13-15,20H,3-4,7-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyXDAGASAIPCJCBS-UHFFFAOYSA-N
MW329.44 g/mol
LogP3.00
Rot. Bonds6

About N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide

N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide (PubChem CID 119710473) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
PubChem CID119710473
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC NameN-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide
SMILESCC(CC(=O)Nc1cccc(NC(=O)C2CC2)c1)C1CCCNC1
InChIInChI=1S/C19H27N3O2/c1-13(15-4-3-9-20-12-15)10-18(23)21-16-5-2-6-17(11-16)22-19(24)14-7-8-14/h2,5-6,11,13-15,20H,3-4,7-10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyXDAGASAIPCJCBS-UHFFFAOYSA-N
XLogP3.00
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
N-[4-methyl-3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide;hydrochloride
CID 119725834
N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119814649
N-(3-methylsulfonylphenyl)-3-piperidin-3-ylbutanamide
CID 119694301
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide
CID 119743911
3-piperidin-3-yl-N-[3-(trifluoromethyl)phenyl]butanamide;hydrochloride
CID 119671265
N-(3-methylsulfinylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119743910
N-[5-(3-piperidin-3-ylbutanoylamino)-2-pyridinyl]cyclopropanecarboxamide;dihydrochloride
CID 119879371
N-[3-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714898
3-(3-piperidin-3-ylbutanoylamino)-N-propylbenzamide
CID 119712067

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide (CID 119710473) is N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide is CC(CC(=O)Nc1cccc(NC(=O)C2CC2)c1)C1CCCNC1.
What is the InChIKey of N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide?
The InChIKey is XDAGASAIPCJCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-13(15-4-3-9-20-12-15)10-18(23)21-16-5-2-6-17(11-16)22-19(24)14-7-8-14/h2,5-6,11,13-15,20H,3-4,7-10,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide?
N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide has a molecular weight of 329.44 g/mol, XLogP of 3.00, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-piperidin-3-ylbutanoylamino)phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 119710473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).